Information card for entry 1555906

Structure parameters

• Formula: C21 H33 N O4
• Calculated formula: C21 H33 N O4
• SMILES: C1(CCCC(C)(N1O[C@H](C)[C@@H](c1ccc(cc1)OC)OC(=O)C)C)(C)C.C1(CCCC(C)(N1O[C@@H](C)[C@H](c1ccc(cc1)OC)OC(=O)C)C)(C)C
• Title of publication: Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.
• Authors of publication: Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 5880 - 5883
• a: 10.7863 ± 0.0002 Å
• b: 8.519 ± 0.0002 Å
• c: 22.5231 ± 0.0005 Å
• α: 90°
• β: 94.7132 ± 0.0019°
• γ: 90°
• Cell volume: 2062.62 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No